SCHEMBL6468892

SCHEMBL6468892

Cc1c(C#N)c(-c2cccc(C#N)c2)c(C)n1Cc1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.77
CYP3A4 P08684 6/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 5/20 0.46
HSD17B10 Q99714 5/20 0.46
CYP2C19 P33261 5/20 0.46
CLK4 Q9HAZ1 4/20 0.46
MAPK1 P28482 3/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C9 P11712 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP11B1 P15538 2/20 0.43
CHRNB2 P17787 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6465272 0.87 AR (1.00) ARCYP3A4ALDH1A1HSD17B10KDM4E
SCHEMBL6466379 0.82 AR (0.76) ARCYP3A4ALDH1A1HSD17B10CYP2C19
SCHEMBL6464186 0.78 AR (0.81) ARCYP3A4ALDH1A1HSD17B10MAPK1
SCHEMBL6466418 0.77 AR (0.80) ARCYP3A4ALDH1A1HSD17B10KDM4E
SCHEMBL4915868 0.76 AR (0.80) ARCYP11B1
SCHEMBL6464840 0.76 AR (0.78) ARCYP11B1CYP11B2
SCHEMBL6465363 0.75 AR (0.76) ARCYP3A4ALDH1A1HSD17B10KDM4E
SCHEMBL6464828 0.74 AR (0.77) ARCYP3A4ALDH1A1HSD17B10KDM4E
SCHEMBL6466709 0.74 AR (0.62) ARALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4919020 0.74 AR (0.57) AR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR AR 6/4885CYP3A4 2149/4885ALDH1A1 2144/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.